The electronic structure of MgO nanotubes. An ab initio quantum mechanical investigation
- Author
- EI-KELANY, Khaled E1 ; FERRABONE, Matteo2 ; RERAT, Michel1 ; CARBONNIERE, Philippe1 ; ZICOVICH-WILSON, Claudio M3 ; DOVESI, Roberto2
[1] IPREM UMR 5254, Technopole Hélioparc, 2 avenue du President Pierre Angot, 64053 Pau, France
[2] Dipartimento di Chimica IFM, Università di Torino and NIS -Nanostructured Interfaces and Surfaces ― Centre of Excellence, Via P. Giuria 7, 10125 Torino, Italy
[3] Facultad de Ciencias, Universidad Autnoma del Estado de Morelos, Av. Universidad, 1001, Col. Chamilpa, 62209 Cuemavaca (Morelos), Mexico - Source
PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 32, pp 13296-13303, 8 p ; ref : 46 ref
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Energie Equilibre Méthode fonctionnelle densité Nanotube Oxyde de magnésium Oxygène Polarisabilité Relaxation Stabilité Structure électronique MgO Monocouche
- Keyword (en)
- Energy Equilibrium Density functional method Nanotube Magnesium oxide Oxygen Polarizability Relaxation Stability Electronic structure
- Keyword (es)
- Energía Equilibrio Nanotubo Magnesio óxido Oxígeno Polarizabilidad Relajación Estabilidad Estructura electrónica
- Classification
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 27633854
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1039/c3cp50979f 
https://dx.doi.org/10.1039/c3cp50979f
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